[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone

C16H17FN2O2S — CID 136545307

IUPAC[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOCC1CCN1C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2S/c1-21-9-12-6-7-19(12)16(20)14-10-22-15(18-14)8-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9H2,1H3
InChIKeyXHCPMAXLXLZGFZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.73
Rot. Bonds5

About [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone

[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 136545307) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
PubChem CID136545307
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOCC1CCN1C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C16H17FN2O2S/c1-21-9-12-6-7-19(12)16(20)14-10-22-15(18-14)8-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9H2,1H3
InChIKeyXHCPMAXLXLZGFZ-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648906
(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 99639921
(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120572291
1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
(2,2-dimethylmorpholin-4-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 56792147
2-[cyclopropyl-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203417
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 126768552

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone (CID 136545307) is [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone is COCC1CCN1C(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone?
The InChIKey is XHCPMAXLXLZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-21-9-12-6-7-19(12)16(20)14-10-22-15(18-14)8-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone?
[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 136545307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).